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Test: add unit test for charge.cpp#2527

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hongriTianqi merged 14 commits intodeepmodeling:developfrom
hongriTianqi:rhout
May 29, 2023
Merged

Test: add unit test for charge.cpp#2527
hongriTianqi merged 14 commits intodeepmodeling:developfrom
hongriTianqi:rhout

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@hongriTianqi hongriTianqi commented May 25, 2023

Fix #2526

  1. Split Charge::init(), Charge::set_rho_core(), Charge::non_linear_core_correction, Charge::rho_mpi() from the main charge.cpp file to facilitate unit test for other simpler functions.

  2. add ut for constructor, destructor, set_rhopw(), allocate(), destroy(), sum_rho(), renormalize_rho(), check_ne(), save_rho_before_sum_band(), and init_final_scf().

@hongriTianqi hongriTianqi marked this pull request as draft May 25, 2023 05:38
@hongriTianqi hongriTianqi marked this pull request as ready for review May 26, 2023 09:00
@hongriTianqi hongriTianqi requested a review from dyzheng May 26, 2023 09:00
@hongriTianqi hongriTianqi merged commit ba8b7ce into deepmodeling:develop May 29, 2023
@hongriTianqi hongriTianqi deleted the rhout branch May 29, 2023 02:14
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I want to add unit test for charge.cpp

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